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4(5)-(<Methoxycarbonyl>methyl)thio-5(4)-nitro-imidazole
SpectraBase Compound ID ECdqzqe09F6
InChI InChI=1S/C6H7N3O4S/c1-13-4(10)2-14-6-5(9(11)12)7-3-8-6/h3H,2H2,1H3,(H,7,8)
InChIKey KAURFWNXORBNOB-UHFFFAOYSA-N
Mol Weight 217.2 g/mol
Molecular Formula C6H7N3O4S
Exact Mass 217.015727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Id55yHcBOnG
Name 4(5)-(methyl)thio-5(4)-nitro-imidazole
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H7N3O4S
InChI InChI=1S/C6H7N3O4S/c1-13-4(10)2-14-6-5(9(11)12)7-3-8-6/h3H,2H2,1H3,(H,7,8)
InChIKey KAURFWNXORBNOB-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference J.G. Buchanan, A.E. McCraig, R.H. Wightman, J. Chem. Soc. Perkin I 955 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6